General Information of the Compound
Compound ID
CP0035563
Compound Name
US20230414632, Compound I-g
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Synonyms
120092-68-4
2-(4-Diphenylmethyl-1-piperazinyl)ethyl methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
2-[4-(diphenylmethyl)piperazin-1-yl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin
3-(2-(4-Benzhydrylpiperazin-1-yl)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
89226-50-6
Artedil
C35H38N4O6
CHEMBL312176
Franidipine
Iperten
MANIDIPINE
Manidipine (INN)
Manidipine (Manyper)
Manidipine 6300
Manidipine [INN]
manidipine
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Structure
Formula
C35H38N4O6
Molecular Weight
610.711
Canonical SMILES
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
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InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
CAS
120092-68-4
Physicochemical Property
logP
4.953
Rotatable Bonds
10
Heavy Atom Count
45
Polar Areas
114.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
45

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4008
SID: 14838658
ChEMBL ID
CHEMBL1085699
DrugBank ID
DB09238
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1
 Cell Line Info 
Sus scrofa (Pig)  2
1
IC50 = 4600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 4650 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 13335.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( MANIDIPINE )
Drug Name MANIDIPINE
Target(s)
Trypanosoma Cruzipain (Trypano CYSP)
 Target Info 
Inhibitor